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Home > Imidazoles > 331717-63-6
331717-63-6 | 1-Ethyl-3-methylimidazolium thiocyanate
CAS No: 331717-63-6 Catalog No: AG007H5Y MDL No:MFCD06798182
Product Description
Catalog Number:
AG007H5Y
Chemical Name:
1-Ethyl-3-methylimidazolium thiocyanate
CAS Number:
331717-63-6
Molecular Formula:
C7H11N3S
Molecular Weight:
169.2473
MDL Number:
MFCD06798182
IUPAC Name:
1-ethyl-3-methylimidazol-3-ium;thiocyanate
InChI:
InChI=1S/C6H11N2.CHNS/c1-3-8-5-4-7(2)6-8;2-1-3/h4-6H,3H2,1-2H3;3H/q+1;/p-1
InChI Key:
VASPYXGQVWPGAB-UHFFFAOYSA-M
SMILES:
CC[n+]1ccn(c1)C.[S-]C#N
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.246g/mol
Monoisotopic Mass:
169.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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